REMARK  Name = BDB002089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.891  -1.990   0.192  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1       -0.159  -0.818   0.147  0.00  0.00    -0.283 N 
ATOM      3  H   LIG    1       -0.720   0.029   0.108  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.444  -3.133   0.241  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.237  -0.661   0.147  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.738   0.639   0.094  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        3.122   0.875   0.091  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        4.056  -0.169   0.139  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        3.525  -1.466   0.191  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1        2.142  -1.714   0.195  0.00  0.00    +0.025 A 
BRANCH   8  11
ATOM     11  N   LIG    1        5.410   0.065   0.135  0.00  0.00    -0.330 N 
ATOM     12  C   LIG    1        6.423  -0.984   0.052  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1        7.718  -0.223  -0.217  0.00  0.00    +0.020 C 
ATOM     14  C   LIG    1        7.492   1.099   0.495  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        6.019   1.389   0.224  0.00  0.00    +0.105 C 
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   1  16
ATOM     16  C   LIG    1       -2.404  -1.749   0.175  0.00  0.00    +0.324 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.709  -0.357   0.117  0.00  0.00    -0.483 OA
BRANCH  17  21
ATOM     18  C   LIG    1       -7.586  -1.375   0.133  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.430  -0.418   0.126  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1       -5.112  -0.900   0.131  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -4.034  -0.014   0.102  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.278   1.361   0.051  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -5.585   1.861   0.014  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -5.833   3.340  -0.014  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.657   0.962   0.060  0.00  0.00    +0.007 A 
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5